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Ligand

NameCHEMBL594505
Molecular formulaC16H17ClN2O3S
IUPAC namemethyl 2-[[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-1,3-thiazole-5-carboxylate
Molecular weight352.833
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50305902
ZINC32493996
(S)-methyl 2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazole-5-carboxylate
Inchi KeyFMHTWEXHAZHRHI-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H17ClN2O3S/c1-9(2)13(10-4-6-11(17)7-5-10)14(20)19-16-18-8-12(23-16)15(21)22-3/h4-9,13H,1-3H3,(H,18,19,20)/t13-/m0/s1
PubChem CID39725404
ChEMBLCHEMBL594505
IUPHARN/A
BindingDB50305902
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
81931Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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